cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol

C12H20O4 — CID 138966608

IUPACcis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol
SMILESCCC[C@@H](O)[C@@H]1O[C@H]1[C@@H]1O[C@@H]1C[C@@H]1C[C@H]1O
InChIInChI=1S/C12H20O4/c1-2-3-7(13)10-12(16-10)11-9(15-11)5-6-4-8(6)14/h6-14H,2-5H2,1H3/t6-,7+,8+,9+,10-,11+,12+/m0/s1
InChIKeyCPUHHIFVTIWVRS-LUSRZYESSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds6

About cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol

cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol (PubChem CID 138966608) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol
PubChem CID138966608
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namecis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol
SMILESCCC[C@@H](O)[C@@H]1O[C@H]1[C@@H]1O[C@@H]1C[C@@H]1C[C@H]1O
InChIInChI=1S/C12H20O4/c1-2-3-7(13)10-12(16-10)11-9(15-11)5-6-4-8(6)14/h6-14H,2-5H2,1H3/t6-,7+,8+,9+,10-,11+,12+/m0/s1
InChIKeyCPUHHIFVTIWVRS-LUSRZYESSA-N
XLogP0.45
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol (CID 138966608) is cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol is CCC[C@@H](O)[C@@H]1O[C@H]1[C@@H]1O[C@@H]1C[C@@H]1C[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol?
The InChIKey is CPUHHIFVTIWVRS-LUSRZYESSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-3-7(13)10-12(16-10)11-9(15-11)5-6-4-8(6)14/h6-14H,2-5H2,1H3/t6-,7+,8+,9+,10-,11+,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol?
cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol has a molecular weight of 228.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 138966608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).